5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine

C12H19N3 — CID 82396174

IUPAC5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine
SMILESCC(C)Cc1cncnc1C1CCNC1
InChIInChI=1S/C12H19N3/c1-9(2)5-11-7-14-8-15-12(11)10-3-4-13-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyPTLBVJOLCRQVQF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.75
Rot. Bonds3

About 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine

5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine (PubChem CID 82396174) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine
PubChem CID82396174
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine
SMILESCC(C)Cc1cncnc1C1CCNC1
InChIInChI=1S/C12H19N3/c1-9(2)5-11-7-14-8-15-12(11)10-3-4-13-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyPTLBVJOLCRQVQF-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
CID 96597490
5-pyrrolidin-3-ylpyrimidine
CID 66996535
(4-cyclopropylpyrimidin-5-yl)methanol
CID 126972771
5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
CID 71298737
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 82655819
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
6-pyrrolidin-3-yl-7H-purine
CID 82404474

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine (CID 82396174) is 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine is CC(C)Cc1cncnc1C1CCNC1.
What is the InChIKey of 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine?
The InChIKey is PTLBVJOLCRQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)5-11-7-14-8-15-12(11)10-3-4-13-6-10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine?
5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine has a molecular weight of 205.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 82396174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).